|
2
|
An introduction to parallel python using mpi. http://sourceforge.net/projects/pympi
– PyMPI
- 2000
|
|
2
|
Hamiltonian Thermostatting Techniques for Molecular Dynamics Simulation
– Christopher Richard Sweet
- 2004
|
|
1
|
den Eijnden, On-the-fly string method for minimum free energy paths calculation
– L Maragliano, E van
- 2007
|
|
1
|
Eclipse interactive development environment, http://www.eclipse. org
– Eclipse
- 2007
|
|
1
|
IPython webpage
– IPython
- 2007
|
|
1
|
Zone: The resource for CUDA developers,http://www.nvidia. com/objects/cuda_home.html
– CUDA CUDA
- 2009
|
|
1
|
27 K. Hinsen, The molecular modeling toolkit: A new approach to molecular simulations
– Stanford University, http www-graphics stanford eduprojectsbrookgpu BrookGPU
- 2004
|
|
1
|
Gnuplot.py on sourceforge, http://gnuplot-py.sourceforge
– Gnuplot py
- 2005
|
|
1
|
Introduction to Matlab for Engineers and
– D M Etter
- 1996
|
|
1
|
NVidia: World leader in visual computing technologies, http://www. nvidia.com
– NVidia
- 2009
|
|
2
|
Matlab style python plotting", http://matplotlib.sourceforge.net/ (as of February 2004
– Matplotlib
|
|
19
|
PROTOMOL, an Object-Oriented Framework for Prototyping Novel Algorithms for Molecular Dynamics
– Thierry Matthey, Trevor Cickovski, Scott Hampton, Alice Ko, Qun Ma
- 2002
|
|
5
|
Verlet-I/r-RESPA/Impulse Is Limited by Nonlinear Instability
– Qun Ma, Jesus A. Izaguirre, Robert, Robert D. Skeel
- 1951
|
|
2
|
Crystallgraphic refinement of the structure of bovine pancreatic trypsin inhibitor at 1.5 A˚ resolution. Acta Crystallogr. sect
– J Deisenhofer, W Steigemann
- 1975
|
|
35
|
AMBER: assisted model building with energy refinement. A general program for modeling molecules and their interactions
– P K Weiner, P A Kollman
- 1981
|
|
8
|
Monitoring energy drift with shadow Hamiltonians
– R D Engle, R D Skeel, M Drees
|
|
21
|
A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
– W C Swope, H C Andersen, P H Berens, K R Wilson
- 1982
|
|
37
|
Die Berechnung optischer und elektrostatischer Gitterpotentiale
– P P Ewald
- 1921
|
|
23
|
The Nosé-Poincaré Method for Constant Temperature Molecular Dynamics
– Stephen D. Bond, Benedict J. Lemkuhler, Brian B. Laird
- 1999
|